General Information of the Compound
| Compound ID |
CP0110195
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[6-chloro-17-(4-methylpiperazin-1-yl)-2,4,8,22-tetrazatetracyclo[14.3.1.13,7.19,13]docosa-1(20),3,5,7(22),9,11,13(21),16,18-nonaen-10-yl]-N-methylmethanesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H30ClN7O2S
|
||||||||||||||||||
| Molecular Weight |
528.082
|
||||||||||||||||||
| Canonical SMILES |
CN(c1ccc2CCc3cc(Nc4ncc(Cl)c(Nc1c2)n4)ccc3N1CCN(C)CC1)S(C)(=O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H30ClN7O2S/c1-31-10-12-33(13-11-31)22-9-7-19-15-18(22)6-4-17-5-8-23(32(2)36(3,34)35)21(14-17)29-24-20(26)16-27-25(28-19)30-24/h5,7-9,14-16H,4,6,10-13H2,1-3H3,(H2,27,28,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VPIYVBWLZFYYNW-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound